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University of Basel

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Postdoctoral Position in AI-Driven Drug Design at the University of Basel University of Basel in Switzerland

Degree Level

Postdoc

Field of study

Computer Science

Funding

Fully funded postdoctoral position in an international Innosuisse research project on AI-driven closed-loop drug discovery. The role is 100% and available immediately; no stipend amount is stated.

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Country

Switzerland

University

University of Basel

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Keywords

Computer Science
Chemistry
Biomedical Engineering
Deep Learning
Biology
Computational Chemistry
Molecular Modeling
Pharmacy
Chemoinformatics
Physics
ML

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About this position

Postdoctoral Position in AI-Driven Drug Design at the University of Basel (Computational Pharmacy group).

This fully funded postdoctoral role sits at the interface of artificial intelligence, machine learning, deep learning, cheminformatics, computational chemistry, and drug discovery. The project is part of an international Innosuisse collaboration focused on AI-driven closed-loop drug discovery and iterative Design–Make–Test–Analyze (DMTA) cycles.

The successful candidate will develop and adapt methods for structure-based molecular design and generative AI, integrate physicochemical and protein–ligand interaction information into AI workflows, and help build computational pipelines that use experimental affinity, selectivity, and molecular-property data to improve the next round of proposed compounds. The methods will be applied prospectively to optimize serine protease inhibitors, with a complement-system serine protease as the case study.

Eligibility highlights: PhD in Computational Chemistry, Cheminformatics, Computer Science, Physics, or a related field; strong ML/DL background; strong Python programming; experience in molecular generative AI, molecular representations, structure-based drug design, or protein–ligand modeling; molecular modeling knowledge is highly desirable; strong publication record; fluent English; independent and collaborative working style.

Funding: fully funded postdoctoral position, 100% employment, available immediately. No stipend amount is stated.

How to apply: submit a 1-page motivation letter, CV with publication list, PhD certificate or expected-completion confirmation, and at least two academic references through the University of Basel online recruiting platform. Questions can be directed to Prof. Markus Lill ([email protected]).

Research group: Computational Pharmacy, University of Basel. Representative publications and group information are linked in the post.

Funding details

Fully funded postdoctoral position in an international Innosuisse research project on AI-driven closed-loop drug discovery. The role is 100% and available immediately; no stipend amount is stated.

What's required

PhD in Computational Chemistry, Cheminformatics, Computer Science, Physics, or a related discipline; strong background in machine learning and deep learning; strong programming skills, particularly in Python; experience in at least one of molecular generative AI, cheminformatics and molecular representations, or structure-based drug design and protein-ligand modeling; experience with molecular modeling and understanding of physicochemical principles governing molecular recognition is highly desirable; strong publication record in high-quality venues; fluent verbal and written English; motivated, independent, and collaborative.

How to apply

Submit a motivation letter (max. 1 page), CV with publication list, PhD certificate or proof of expected completion, and contact details for at least two academic references via the University of Basel online recruiting platform. For questions, contact Prof. Markus Lill by email.

More information can be found here

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